1H--1H correlation spectroscopy (1H-1H COSY)

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Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

molecular Image

InChI	InChI=1S/C50H40N2O4S2/c1-53-43-21-13-39(14-22-43)51(40-15-23-44(54-2)24-16-40)37-9-5-35(6-10-37)49-33-31-47(57-49)29-30-48-32-34-50(58-48)36-7-11-38(12-8-36)52(41-17-25-45(55-3)26-18-41)42-19-27-46(56-4)28-20-42/h5-28,31-34H,1-4H3
SMILES	COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)c1ccc(s1)C#Cc1ccc(s1)c1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)OC
InChI Key	WXWZGZUOAZTPIW-UHFFFAOYSA-N
Exact Mass	796.994 g/mol

Data and Resources

1H--1H correlation spectroscopy (1H-1H COSY)HTML

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Metadata Information

Field	Value
DOI	10.14272/WXWZGZUOAZTPIW-UHFFFAOYSA-N/CHMO0001150
License URL
Source	https://www.chemotion-repository.net/inchikey/WXWZGZUOAZTPIW-UHFFFAOYSA-N/CHMO0001150
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-11-19
Related Molecule

Field	Value
Measurement Technique	1H–1H correlation spectroscopy
Measurement Variables	date : 2025-11-02 starting time : 01:58:30 UTC creator : Sylvia Vanderheiden-Schroen label : ComP-26752 id : 355281 Solvent : CDCl3 temperature : 297.988120011455 K PULPROG : cosygpppqf number of scans : 1 scans instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
177693367	pubchem
The data in this table is sourced from UniChem at EBI.